Structure Database (LMSD)
Common Name
7a-Hydroxydehydroepiandrosterone
Systematic Name
Synonyms
LM ID
LMST02020101
Formula
Exact Mass
Calculate m/z
304.203845
Sum Composition
Status
Active
3D model of 7a-Hydroxydehydroepiandrosterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OLPSAOWBSPXZEA-JIEICEMKSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]12([H])[C@H](O)C=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
308.91
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.42
Molar Refractivity
85.13
Admin
Created at
-
Updated at
9th Jun 2022